Receptor
PDB id Resolution Class Description Source Keywords
4X07 1.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P DOMAIN FROM NOROVIRUS STRAIN SAGA4 IN WITH HBGA TYPE A (TRIGLYCAN) NOROVIRUS HU/GII-4/SAGA4/2006/JP VIRAL CAPSID PROTEIN PROTRUDING DOMAIN VIRAL PROTEIN
Ref.: HUMAN NOROVIRUSES' FONDNESS FOR HISTO-BLOOD GROUP A J.VIROL. V. 89 2024 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:601;
B:601;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
FUC GLA A2G B:602;
A:602;
Valid;
Valid;
none;
none;
submit data
529.492 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4X06 1.22 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF P DOMAIN FROM NOROVIRUS STRAIN SAGA4 IN WITH HBGA TYPE B (TRIGLYCAN) NOROVIRUS HU/GII-4/SAGA4/2006/JP VIRAL CAPSID PROTEIN PROTRUDING DOMAIN VIRAL PROTEIN
Ref.: HUMAN NOROVIRUSES' FONDNESS FOR HISTO-BLOOD GROUP A J.VIROL. V. 89 2024 2015
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
70% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 6GW0 Kd = 0.00000145 M TUD C26 H45 N O6 S C[C@H](CCC....
15 6GVZ Kd = 0.4 uM CHO C26 H43 N O5 C[C@H](CCC....
16 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
17 6GW1 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
18 4Z4Z - FUC GLA GLA n/a n/a
19 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
20 3Q3A - FUL GAL NAG n/a n/a
21 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
22 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
23 4Z4Y - FUC GLA GLA n/a n/a
24 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
25 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
26 3PA2 - FUC GAL NAG FUC n/a n/a
27 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
28 3Q38 - FUC GAL GLA n/a n/a
29 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
30 3PA1 - FUC GAL A2G n/a n/a
31 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
32 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
33 3Q39 - FUC GAL n/a n/a
34 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
35 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
36 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
37 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
38 4RM0 - FUC NAG GAL n/a n/a
39 3PUN - FUC GAL NDG FUC n/a n/a
40 3PVD - SIA GAL NDG FUC n/a n/a
41 3R6K - FUC GAL GLA n/a n/a
42 6GW4 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
43 2OBS - FUC GL0 A2G n/a n/a
44 2OBT - FUC GAL GLA n/a n/a
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 6GW0 Kd = 0.00000145 M TUD C26 H45 N O6 S C[C@H](CCC....
15 6GVZ Kd = 0.4 uM CHO C26 H43 N O5 C[C@H](CCC....
16 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
17 6GW1 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
18 4Z4Z - FUC GLA GLA n/a n/a
19 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
20 3Q3A - FUL GAL NAG n/a n/a
21 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
22 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
23 4Z4Y - FUC GLA GLA n/a n/a
24 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
25 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
26 3PA2 - FUC GAL NAG FUC n/a n/a
27 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
28 3Q38 - FUC GAL GLA n/a n/a
29 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
30 3PA1 - FUC GAL A2G n/a n/a
31 6GW2 Kd = 0.0000123 M TUD C26 H45 N O6 S C[C@H](CCC....
32 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
33 3Q39 - FUC GAL n/a n/a
34 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
35 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
36 6GY9 - KBA C10 H17 N3 O5 C[C@H]1[C@....
37 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
38 4RM0 - FUC NAG GAL n/a n/a
39 3PUN - FUC GAL NDG FUC n/a n/a
40 3PVD - SIA GAL NDG FUC n/a n/a
41 4RDL - FUC GAL NDG FUC n/a n/a
42 4RDK - FUC NDG GAL FUC n/a n/a
43 3R6K - FUC GAL GLA n/a n/a
44 5N7M - GLC GAL FUC n/a n/a
45 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
46 2ZL7 - FUC GAL NGA n/a n/a
47 3D26 - NGA GAL FUC n/a n/a
48 4P25 - FUC GAL NAG FUC n/a n/a
49 4P3I - GAL NAG FUC n/a n/a
50 4P2N - GAL NAG FUC n/a n/a
51 4P26 - A2G GAL NAG FUC n/a n/a
52 4P1V - FUC GAL NAG n/a n/a
53 6GW4 Kd = 0.00000145 M CHO C26 H43 N O5 C[C@H](CCC....
54 2OBS - FUC GL0 A2G n/a n/a
55 2OBT - FUC GAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GLA A2G; Similar ligands found: 176
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA GAL FUC 1 1
2 FUC GLA A2G 1 1
3 A2G GAL FUC 1 1
4 A2G GLA FUC 1 1
5 FUC GAL A2G 1 1
6 GAL GAL FUC 0.691176 0.73913
7 FUC GAL GLA 0.691176 0.73913
8 GLA GAL FUC 0.691176 0.73913
9 FUC GLA GLA 0.691176 0.73913
10 GLA GLA FUC 0.691176 0.73913
11 BGC FUC GAL FUC A2G 0.682927 0.978723
12 GLC FUC GAL FUC A2G 0.682927 0.978723
13 FUC GAL NAG A2G 0.674699 0.938776
14 A2G GAL BGC FUC 0.674699 1
15 A2G GAL NAG FUC 0.674699 0.938776
16 NAG GAL FUC FUC A2G 0.658824 0.938776
17 FUC GAL NAG A2G FUC 0.658824 0.938776
18 FUC BGC GAL NAG 0.650602 1
19 BGA 0.627907 0.836364
20 GAL NAG 0.597222 0.978261
21 NAG GAL 0.597222 0.978261
22 NAG A2G 0.589041 0.958333
23 NAG NGA 0.589041 0.958333
24 A2G GAL NAG FUC GAL GLC 0.583333 0.938776
25 GLC GAL NAG GAL FUC A2G 0.583333 0.938776
26 FUC GAL NGA 0.580247 0.918367
27 GAL NGA A2G 0.564103 0.958333
28 DR3 0.555556 1
29 NAG MAN BMA 0.55 0.978261
30 NAG GDL 0.546667 0.958333
31 CBS 0.546667 0.958333
32 NAG MBG 0.546667 0.978723
33 NDG NAG 0.546667 0.958333
34 CBS CBS 0.546667 0.958333
35 NGA GAL BGC 0.5375 0.978261
36 NAG FUC 0.533333 0.956522
37 NGA GAL 0.532468 0.916667
38 FUC NDG GAL 0.530864 1
39 GAL NDG FUC 0.530864 1
40 GAL NAG GAL FUC 0.528736 1
41 GLA NAG GAL FUC 0.528736 1
42 FUC GAL 0.528571 0.717391
43 FUC NAG 0.525641 0.9
44 NAG GAL FUC 0.52439 1
45 DR2 0.52439 1
46 FUC GAL NDG 0.52439 1
47 FUC GAL NAG 0.52439 1
48 GAL NAG FUC 0.52439 1
49 FUL GAL NAG 0.52439 1
50 NDG GAL FUC 0.52439 1
51 FUC BGC GAL NAG GAL 0.521277 1
52 MBG A2G 0.519481 0.978723
53 A2G MBG 0.519481 0.978723
54 NAG NAG NAG NAG NDG 0.518987 0.938776
55 NAG NAG NAG NAG NAG NAG NAG NAG 0.518987 0.938776
56 NDG NAG NAG NAG 0.518987 0.938776
57 NAG NAG NAG NAG NAG NAG 0.518987 0.938776
58 NAG NAG NAG NAG NAG 0.518987 0.938776
59 NAG NAG NDG NAG 0.518987 0.938776
60 NDG NAG NAG NDG 0.518987 0.938776
61 NAG NAG NDG 0.518987 0.938776
62 CTO 0.518987 0.938776
63 NAG NAG NAG NDG 0.518987 0.938776
64 NDG NAG NAG 0.518987 0.938776
65 NAG GAL NAG 0.511905 0.958333
66 NAG GAL BGC 0.511905 0.978261
67 GLA MAN ABE 0.506173 0.708333
68 NAG MAN MMA 0.506024 0.978723
69 FUC NAG GAL FUC 0.505882 0.978723
70 GAL NDG FUC FUC 0.505882 0.978723
71 BCW 0.505882 0.978723
72 FUC GAL NAG FUC 0.505882 0.978723
73 FUC GAL NDG FUC 0.505882 0.978723
74 GAL NAG FUC FUC 0.505882 0.978723
75 FUC NDG GAL FUC 0.505882 0.978723
76 BDZ 0.505882 0.978723
77 FUC GAL NAG GAL FUC 0.505495 0.978723
78 NGA GLA GAL BGC 0.5 0.978261
79 NAG BDP NAG BDP NAG BDP NAG 0.5 0.92
80 NAG NAG 0.5 0.865385
81 3QL 0.5 0.884615
82 FUC NAG GAL 0.5 0.92
83 NAG NDG 0.5 0.865385
84 MAN MAN NAG 0.494118 0.9375
85 MAG FUC GAL 0.493976 0.958333
86 NAG MAN MAN 0.488372 0.978261
87 FUC BGC GAL 0.487179 0.73913
88 GLA GAL NAG FUC GAL GLC 0.484848 1
89 NAG MAN MAN MAN NAG 0.483516 0.958333
90 FUC GAL NAG GAL BGC 0.479167 1
91 GLC NAG GAL GAL FUC 0.479167 1
92 GAL GLC NAG GAL FUC 0.479167 1
93 GAL NAG MAN 0.47619 0.978261
94 NAG MAN 0.475 0.9375
95 MAG 0.471429 0.914894
96 2F8 0.471429 0.914894
97 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.469388 0.92
98 GAL A2G 0.467532 0.978261
99 GAL NGA 0.467532 0.978261
100 A2G GAL 0.467532 0.978261
101 NAG A2G GAL 0.465909 0.958333
102 NAG MUB 0.465909 0.92
103 AH0 NAG 0.465909 0.851852
104 NAG AMU 0.465909 0.92
105 NAG NAG NAG 0.45977 0.867925
106 NAG NAG NAG NAG 0.45977 0.867925
107 FUC NAG GLA GAL 0.457447 0.978723
108 BMA Z4Y NAG 0.456522 0.957447
109 Z4S NAG NAG 0.455556 0.867925
110 NAG MAN BMA MAN NAG GAL 0.45098 0.958333
111 BGC GLA GAL FUC 0.448276 0.73913
112 NG1 0.445946 0.736842
113 GN1 0.445946 0.736842
114 GLC GAL NAG GAL FUC FUC 0.445545 0.978723
115 BGC GAL NAG GAL FUC FUC 0.445545 0.978723
116 NAG GAL GAL NAG GAL 0.444444 0.958333
117 NAG NM9 0.443182 0.901961
118 LEC NGA 0.44086 0.71875
119 LAT FUC 0.439024 0.73913
120 GLC GAL FUC 0.439024 0.73913
121 8B7 0.439024 0.73913
122 BGC GAL FUC 0.439024 0.73913
123 FUC GAL GLC 0.439024 0.73913
124 NGT NAG 0.438202 0.793103
125 3PV 0.4375 0.92
126 FUC NAG TA5 0.431579 0.671642
127 NLC 0.43038 0.978261
128 NDG GAL 0.43038 0.978261
129 GAL NDG 0.43038 0.978261
130 GAL MGC 0.43038 0.978723
131 FUC C4W NAG BMA 0.43 0.884615
132 GAL NAG GAL NAG GAL NAG 0.428571 0.938776
133 NAG GAL GAL NAG 0.428571 0.958333
134 DLD 0.428571 0.793103
135 FUC C4W NAG BMA MAN NAG 0.428571 0.884615
136 MMA MAN NAG MAN NAG NAG 0.427083 0.92
137 NAG AH0 0.425532 0.851852
138 NOJ NAG NAG NAG 0.423913 0.821429
139 GLC GAL NAG GAL 0.423913 0.978261
140 LAT NAG GAL 0.423913 0.978261
141 NOJ NAG NAG 0.423913 0.836364
142 GAL NAG GAL 0.422222 0.9375
143 WZ5 0.42 0.978723
144 GYU 0.419753 0.785714
145 TNR 0.419753 0.843137
146 3YW 0.417722 0.893617
147 BGC GAL NAG GAL 0.417582 0.978261
148 GAL NAG GAL GLC 0.417582 0.978261
149 SGA MAG FUC 0.416667 0.692308
150 FUC C4W NAG BMA MAN MAN NAG NAG 0.415254 0.884615
151 NAG BMA NAG MAN MAN NAG NAG 0.415094 0.938776
152 NAG MAN BMA NDG MAN NAG GAL 0.412844 0.938776
153 FHY 0.412371 0.867925
154 GAL NAG GAL BGC 0.410526 0.9375
155 NAG NAG NGT 0.410526 0.779661
156 6Y2 0.410526 0.71875
157 SN5 SN5 0.409639 0.823529
158 M5G 0.409091 0.958333
159 NAG NAG BMA MAN MAN NAG GAL NAG 0.409091 0.938776
160 FUC C4W NAG BMA MAN MAN NAG 0.408333 0.884615
161 FUC C4W NAG BMA MAN 0.407407 0.884615
162 BGB 0.406593 0.648148
163 G4S MAG FUC 0.40625 0.692308
164 MA8 0.404762 0.826923
165 XYS GAL FUC 0.402299 0.723404
166 MAN BMA NAG 0.402299 0.978261
167 GLA GAL NAG 0.402299 0.978261
168 NAG NAG BMA 0.402174 0.884615
169 NAG NDG BMA 0.402174 0.884615
170 NDG 0.4 0.869565
171 GAL NGA GLA BGC GAL 0.4 0.978261
172 A2G 0.4 0.869565
173 BM3 0.4 0.869565
174 NGA 0.4 0.869565
175 HSQ 0.4 0.869565
176 NAG 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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